2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
TL;DR: 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid (CAS 85-16-5) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.8009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid
Also Known As: Diprotrizoic acid, Miokon acid, Diprocon, Diprotrizoate, Diprotizoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H13I3N2O4 |
| Molecular Weight | 641.8009 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 641.8009 Da |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| SMILES | CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I |
| InChIKey | OIXRDAZPDINJPT-UHFFFAOYSA-N |
Product Description
Applications: 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid (CAS 85-16-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is a pharmaceutical intermediate identified by CAS number 85-16-5 and the molecular formula C13H13I3N2O4 and a molecular weight of 641.8 g/mol. It is also known as Diprotrizoic acid and Miokon acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
Property Insights of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid. Following Lipinski's Rule of Five, 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The CAS number of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is 85-16-5.
What is the molecular formula of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The molecular formula of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is C13H13I3N2O4.
What is the molecular weight of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
The molecular weight of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is 641.8009 g/mol.
What are the applications of 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
You can request a quote for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Triiodo-3,5-bis((1-oxopropyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.